Hydrochloric Acid

Hydrochloric Acid

SCHEMBL926987

COC(=O)CCc1ccc(CN)cc1.Cl

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 known ✓ P07550 1/20 0.47
▸ ADRB1 known ✓ P08588 1/20 0.47
▸ HRH3 known ✓ Q9Y5N1 1/20 0.45
▸ LOXL2 Q9Y4K0 2/20 0.55
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ F2RL1 P55085 1/20 0.47
▸ TPSAB1 Q15661 2/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA7 P43166 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2851609 0.98 LOXL2 (0.56) LOXL2CYP4F2CYP4A11EPHX2F2RL1
SCHEMBL11135506 0.93 LOXL2 (0.51) LOXL2CYP4F2CYP4A11EPHX2F2RL1
SCHEMBL11135481 0.90 LOXL2 (0.57) LOXL2CYP4F2CYP4A11EPHX2F2RL1
Hydrochloric Acid SCHEMBL4832972 0.89 LOXL2 (0.51) LOXL2CYP4F2CYP4A11EPHX2TPSAB1
Hydrochloric Acid SCHEMBL9265296 0.89 TAAR1 (0.50) CYP4F2CYP4A11EPHX2F2RL1ADRB2
SCHEMBL22922181 0.88 CYP4F2 (0.59) CYP4F2CYP4A11EPHX2F2RL1ADRB2
SCHEMBL4832980 0.87 LOXL2 (0.53) LOXL2CYP4F2CYP4A11EPHX2TPSAB1
SCHEMBL11133337 0.87 ADRB2 (0.47) LOXL2CYP4F2CYP4A11EPHX2F2RL1
SCHEMBL26517824 0.87 TAAR1 (0.52) CYP4F2CYP4A11EPHX2F2RL1ADRB2
Hydrochloric Acid SCHEMBL5043212 0.86 LOXL2 (0.55) LOXL2CYP4F2CYP4A11LMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872021-B2 LXR receptor modulators LABORATORIES FOURNIER S.A. (FR) 2011-01-18 — — US disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 — — US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 — — US disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 — — US disclosed
EP-1401809-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2006-12-20 — — EP disclosed
US-20050256171-A1 Pyrrolidine derivatives as tryptase inhibitors ALTANA PHARMA A G (DE) 2005-11-17 — — US disclosed
US-6962941-B2 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-08 — — US disclosed
US-6960588-B1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-01 — — US disclosed
US-6924305-B2 Diazocine derivatives and their use as tryptase inhibitors ALTANA PHARMA AG (DE) 2005-08-02 — — US disclosed
EP-1534267-A1 PYRROLIDINE DERIVATIVES AS TRYPTASE INHIBITORS ALTANA Pharma AG (DE) 2005-06-01 — — EP disclosed
EP-1208089-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-05-29 — — EP disclosed
WO-2001019809-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-03-22 — — WO disclosed
WO-2001010848-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE S TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-15 — — WO disclosed
US-6114390-A AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS KARL THOMAE GMBH (DE) 2000-09-05 — — US disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP disclosed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 — — EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 — — US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 — — US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD ADRB2 112/4885ADRB1 50/4885HRH3 1302/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 ADRB2 346/4885ADRB1 75/4885HRH3 421/4885
US-20050256171-A1 Pyrrolidine derivatives as tryptase inhibitors TPSAB1, TPSB2, TPSD1 ADRB2 263/4885ADRB1 277/4885HRH3 55/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback